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Information card for entry 7208281
Preview
| Coordinates | 7208281.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 N2 O7 Zn |
|---|---|
| Calculated formula | C15 H11 N2 O7 Zn |
| Title of publication | Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks |
| Authors of publication | Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 17 |
| Pages of publication | 5596 |
| a | 9.32 ± 0.005 Å |
| b | 16.107 ± 0.005 Å |
| c | 12.608 ± 0.005 Å |
| α | 90° |
| β | 100.942 ± 0.005° |
| γ | 90° |
| Cell volume | 1858.3 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0874 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180413 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/82. |
7208281.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7208281.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208281.cif |
| 64239 | 2012-08-11 | cif/ Adding structures of 7208278, 7208279, 7208280, 7208281, 7208282, 7208283, 7208284 via cif-deposit CGI script. |
7208281.cif |
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Users of the data should acknowledge the original authors of the
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